MNDO OPTIMIZED MOLECULAR GEOMETRIES OF SOME PYRIMIDINE AND PURINE DERIVATIVES

Authors
ALRESAYES S ALFARHAN K MONSHI M HASANEIN AA
Citation
S. Alresayes et al., MNDO OPTIMIZED MOLECULAR GEOMETRIES OF SOME PYRIMIDINE AND PURINE DERIVATIVES, Journal of the Indian Chemical Society, 75(9), 1998, pp. 506-510
Citations number
55
Categorie Soggetti
Chemistry
Journal title
Journal of the Indian Chemical Society → ACNP
ISSN journal
00194522
Volume
75
Issue
9
Year of publication
1998
Pages
506 - 510
Database
ISI
SICI code
0019-4522(1998)75:9<506:MOMGOS>2.0.ZU;2-3
Abstract
Heats of formation, ionization potentials, dipole moments and molecula r geometries have been calculated for some pyrimidine and purine deriv atives using the MNDO method. The results are compared with calculated values using other methods and available experimental values.